SCHEMBL29952699

SCHEMBL29952699

CN(CC=O)CC(=O)NC1CC1

nearest known ligand 0.46

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 3/20 0.43
HPGD P15428 2/20 0.43
EPHX1 P07099 1/20 0.43
MAOA P21397 1/20 0.42
LMNA P02545 2/20 0.40
GAA P10253 1/20 0.38
ALDH1A1 P00352 2/20 0.38
SMN1; SMN2 Q16637 2/20 0.37
NPSR1 Q6W5P4 1/20 0.37
MAPT P10636 2/20 0.36
MEN1 O00255 1/20 0.36
HTT P42858 1/20 0.35

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL10132083 0.86 MAOA (0.47) KMT2AHPGDEPHX1MAOALMNA
SCHEMBL29952336 0.84 LMNA (0.40) KMT2AHPGDEPHX1MAOALMNA
SCHEMBL4191188 0.78 MAOA (0.47) KMT2AHPGDEPHX1MAOALMNA
SCHEMBL29951830 0.76 OPRM1 (0.36) LMNAALDH1A1
SCHEMBL10132042 0.75 MAOA (0.40) KMT2AHPGDEPHX1MAOALMNA
SCHEMBL19002495 0.75 EPHX2 (0.47) KMT2AHPGDMAOAGAAALDH1A1
SCHEMBL19002619 0.74 EPHX2 (0.46) KMT2AEPHX1MAOALMNAGAA
SCHEMBL29955423 0.73 MCL1 (0.36) KMT2ALMNA
SCHEMBL854306 0.73 MAOA (0.42) MAOAGAAALDH1A1SMN1; SMN2NPSR1
SCHEMBL854305 0.73 MAOA (0.42) MAOAGAAALDH1A1SMN1; SMN2NPSR1

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20220340893-A1 BI-FUNCTIONAL COMPLEXES AND METHODS FOR MAKING AND USING SUCH COMPLEXES NUEVOLUTION A/S (DK) 2022-10-27 US disclosed